Ligand |
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| Ligand Name: 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER | ||
| HET ID: ECG | PubChem: 104904 | |
| DrugBank: DB04688 | ChEMBL: CHEMBL1232472 | |
| Canonical SMILES: COC(=O)[C@H]1[C@@H](O)C[C@H]2N([C@@H]1CC2)C | ||
| Standard InChI: InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1 | ||
| Molecular Formula: C10H17NO3 | Mol. Weight: 199.24689 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: -0.0591 |
| HBD: 1 | HBA: 4 | TPSA: 49.77 |
| #Bonds: 19 | #Rotatable Bonds: 2 | Shape Complexity: 0.9 |
| Stereocomplexity: 0.4 | Ligand Type: Small Molecule | |
Binding Affinity |
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